2-(azepan-1-ylcarbonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-p-anisyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O6S/c1-29-18-8-6-17(7-9-18)15-24-32(27,28)19-10-11-20-21(14-19)30-16-22(31-20)23(26)25-12-4-2-3-5-13-25/h6-11,14,22,24H,2-5,12-13,15-16H2,1H3